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Out-of-the-box deep learning prediction of pharmaceutical properties by broadly learned knowledge-based molecular representations

Authors: Wan Xiang Shen, Xian Zeng, Feng Zhu, Ya li Wang, Chu Qin, Ying Tan, Yu Yang Jiang, Yuzong Chen - Nature Machine Intelligence 2021 cited by 159

Out-of-the-box deep learning prediction of pharmaceutical properties by broadly learned knowledge-based molecular representations | Litlas